| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 14:52:46 UTC |
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| Update Date | 2025-03-25 00:51:05 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02184754 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C16H21N3O9 |
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| Molecular Mass | 399.1278 |
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| SMILES | N=C(NOC1OC(C(=O)O)C(O)C(O)C1O)NC(Cc1ccccc1)C(=O)O |
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| InChI Key | GTHKDGBIYCYSNA-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | phenylalanine and derivatives |
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| Geometric Descriptor | aromatic heteromonocyclic compounds |
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| Alternative Parents | alpha amino acidsamphetamines and derivativesbenzene and substituted derivativesbeta hydroxy acids and derivativescarbonyl compoundscarboximidamidescarboxylic acidsdicarboxylic acids and derivativesglucuronic acid derivativesguanidineshydrocarbon derivativesiminesmonosaccharidesorganic oxidesorganopnictogen compoundsoxacyclic compoundsoxanesphenylpropanoic acidspyran carboxylic acidssecondary alcohols |
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| Substituents | monocyclic benzene moietycarbonyl groupcarboxylic acidglucuronic acid or derivativesaromatic heteromonocyclic compound3-phenylpropanoic-acidguanidineiminemonosaccharidepyran carboxylic acidbeta-hydroxy acidsaccharideorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundoxaneorganoheterocyclic compoundamphetamine or derivativesalcoholpyran carboxylic acid or derivativescarboximidamidehydroxy acidoxacyclephenylalanine or derivativesorganic oxygen compoundpyransecondary alcoholdicarboxylic acid or derivativeshydrocarbon derivativebenzenoidorganic nitrogen compoundorganooxygen compound |
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